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DFT investigations of Ti, V doped ZnO based diluted magnetic semiconductors

Ul haq, Bakhtiar and Ahmed, Rashid and Shaari, Amiruddin and Hussain, Rafaqat and Mohamad, Mazmira (2013) DFT investigations of Ti, V doped ZnO based diluted magnetic semiconductors. In: The 27th Regional Conference of Solid State Science and Technology (RCSSST27) 2013, 20-22 Dec, 2013, Sabah, Malaysia.

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Official URL: http://my.masshp.net/archives/74

Abstract

The injection impurity element into ZnO has added new dimension to its versatile applications particularly in spintronics and optoelectronics. In this work, we are reporting effect of non magnetic Ti, and magnetic V impurities in ZnO. The substitution of impurity atoms has been done in ground state wurtzite (WZ) and meta stable zinc-blende (ZB) structure. Our investigations have revealed a small difference in WZ and ZB geometries of contaminated ZnO reflecting on the possibility of their experimental fabrication. Spin polarized electronic structures resembled nonmagnetic nature of Ti:ZnO in WZ and magnetic nature in ZB geometry. Similarly introduction of V in to ZnO induced magnetization in ZnO in both WZ and ZB geometry. For these investigations, we have adapted DFT approach using FP-L(APW+lo) method implemented in WIEN2k code.

Item Type:Conference or Workshop Item (Paper)
Uncontrolled Keywords:local density approximation, density functional theory (DFT)
Subjects:Q Science > QC Physics
Divisions:Science
ID Code:61796
Deposited By: Fazli Masari
Deposited On:26 Apr 2017 14:41
Last Modified:26 Apr 2017 14:41

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